Crystallography Open Database

Information card for entry 7239526

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Coordinates	7239526.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C156 H132 Cu6 I13.5 N42 O12
Calculated formula	C156 H132 Cu6 I13.5 N42 O12
Title of publication	Accumulation of versatile iodine species by a porous hydrogen-bonding Cu(ii) coordination framework
Authors of publication	Fu, Lei; Liu, Yu; Pan, Mei; Kuang, Xiao-Jun; Yan, Cheng; Li, Kang; Wei, Shi-Chao; Su, Cheng-Yong
Journal of publication	Journal of Materials Chemistry A
Year of publication	2013
Journal volume	1
Journal issue	30
Pages of publication	8575
a	27.6501 ± 0.0003 Å
b	27.6501 ± 0.0003 Å
c	27.6501 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	21139.3 ± 0.4 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	205
Hermann-Mauguin space group symbol	P a -3
Hall space group symbol	-P 2ac 2ab 3
Residual factor for all reflections	0.1532
Residual factor for significantly intense reflections	0.1299
Weighted residual factors for significantly intense reflections	0.2826
Weighted residual factors for all reflections included in the refinement	0.2882
Goodness-of-fit parameter for all reflections included in the refinement	1.375
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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